5KQG

Co-crystal structure of LMW-PTP in complex with 2-(benzothiazol-2-ylamino)-2-oxo-1-phenylethanesulfonic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2011-07-14
Detector	ADSC QUANTUM 210
Wavelength(s)	0.97903
Spacegroup name	P 21 21 21
Unit cell lengths	34.801, 53.963, 97.330
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.805 - 1.500
R-factor	0.1686
Rwork	0.167
R-free	0.19410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5pnt
RMSD bond length	0.006
RMSD bond angle	1.175
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MOLREP
Refinement software	PHENIX (1.7.1_743)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.500
Number of reflections	28910
<I/σ(I)>	27.9
Completeness [%]	95.5
Redundancy	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	25-30% PEGME 5000, 100 mM Bis-Tris, pH 6.0-6.5